benzyl 2-benzamido-4-methylpentanoate

C20H23NO3 — CID 569675

IUPACbenzyl 2-benzamido-4-methylpentanoate
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)13-18(21-19(22)17-11-7-4-8-12-17)20(23)24-14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,22)
InChIKeyHHBZHOGQSDCRTO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.57
Rot. Bonds7

About benzyl 2-benzamido-4-methylpentanoate

benzyl 2-benzamido-4-methylpentanoate (PubChem CID 569675) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-benzamido-4-methylpentanoate.

Molecular Properties

Compound Namebenzyl 2-benzamido-4-methylpentanoate
PubChem CID569675
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 2-benzamido-4-methylpentanoate
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)13-18(21-19(22)17-11-7-4-8-12-17)20(23)24-14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,22)
InChIKeyHHBZHOGQSDCRTO-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzamido-4-methylpentanoate?
The IUPAC name of benzyl 2-benzamido-4-methylpentanoate (CID 569675) is benzyl 2-benzamido-4-methylpentanoate.
What is the SMILES notation for benzyl 2-benzamido-4-methylpentanoate?
The canonical SMILES for benzyl 2-benzamido-4-methylpentanoate is CC(C)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzamido-4-methylpentanoate?
The InChIKey is HHBZHOGQSDCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)13-18(21-19(22)17-11-7-4-8-12-17)20(23)24-14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,22).
What are the key properties of benzyl 2-benzamido-4-methylpentanoate?
benzyl 2-benzamido-4-methylpentanoate has a molecular weight of 325.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzamido-4-methylpentanoate is sourced from PubChem (CID 569675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).